Density functional theory calculations using Quantum Espresso.
This repository contains the various input files and jupyter notebooks (for post
processing and plotting) of the project. Please follow the tutorial at
https://pranabdas.github.io/espresso/
Pre-built binaries of Quantum ESPRESSO are included in the repository
releases for easy
installation. Currently, only Linux .deb packages are provided. Note that
these packages are not well tested. If you find problems, you may open issues. Please refer to the release notes
for more details on how to install.